N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide

C7H14FNO3 — CID 59490962

IUPACN-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CF)C(=O)COC
InChIInChI=1S/C7H14FNO3/c1-11-4-3-9(6-8)7(10)5-12-2/h3-6H2,1-2H3
InChIKeyKWYCNAYRIMIFBO-UHFFFAOYSA-N
MW179.19 g/mol
LogP0.03
Rot. Bonds6

About N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide

N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide (PubChem CID 59490962) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide
PubChem CID59490962
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC NameN-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CF)C(=O)COC
InChIInChI=1S/C7H14FNO3/c1-11-4-3-9(6-8)7(10)5-12-2/h3-6H2,1-2H3
InChIKeyKWYCNAYRIMIFBO-UHFFFAOYSA-N
XLogP0.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide (CID 59490962) is N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide is COCCN(CF)C(=O)COC.
What is the InChIKey of N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide?
The InChIKey is KWYCNAYRIMIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-11-4-3-9(6-8)7(10)5-12-2/h3-6H2,1-2H3.
What are the key properties of N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide?
N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide has a molecular weight of 179.19 g/mol, XLogP of 0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-2-methoxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 59490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).